SCHEMBL14009657

SCHEMBL14009657

COc1ccc2c(c1)CC(S(=O)(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 6/20 0.43
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 4/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14009603 0.89 NR1I2 (0.57) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL13936830 0.86 ALDH1A1 (0.44) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL3250792 0.83 PRKCA (0.52) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL3943346 0.83 PRKCA (0.46) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL3942143 0.82 PRKCA (0.47) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL3940102 0.82 NR1I2 (0.42) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL3944241 0.81 PRKCA (0.47) KCNH2PRKCAMMP12NR1I2CYP3A4
SCHEMBL13940407 0.80 NR1I2 (0.51) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL14009641 0.79 KCNH2 (0.55) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL895603 0.78 KCNH2 (0.47) KCNH2PRKCAMMP12NR1I2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456167-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456167-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885PRKCA 3901/4885MMP12 4103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.